Basic information
- CAS
6339-11-3- Standard SMILES
CCCCOCCOCCOC(=O)CC(C)=O- InChIKey
KFTQDDKYVVHNMK-UHFFFAOYSA-N- Molecular formula
- C12H22O5
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.1467238
Names & identifiers
- Preferred name
- 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate
- IUPAC
- 2-(2-butoxyethoxy)ethyl 3-oxobutanoate
Names & synonyms
2-(2-butoxyethoxy)ethyl 3-oxobutanoate6339-11-3NSC38204DTXSID90284670NSC-38204DS-003264
Database identifiers
- CAS
6339-11-3- PubChem CID
- 236136
- DTXSID
DTXSID90284670
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…